5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene

C9H13Cl — CID 19809221

IUPAC5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(Cl)C1CC2C=CC1C2
InChIInChI=1S/C9H13Cl/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,6-9H,4-5H2,1H3
InChIKeyAAKZKVOZQQOHMV-UHFFFAOYSA-N
MW156.66 g/mol
LogP2.83
Rot. Bonds1

About 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene

5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 19809221) has the molecular formula C9H13Cl and a molecular weight of 156.66 g/mol. Its IUPAC name is 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID19809221
Molecular FormulaC9H13Cl
Molecular Weight156.66 g/mol
Exact Mass156.07
IUPAC Name5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(Cl)C1CC2C=CC1C2
InChIInChI=1S/C9H13Cl/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,6-9H,4-5H2,1H3
InChIKeyAAKZKVOZQQOHMV-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.66
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene (CID 19809221) is 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene is CC(Cl)C1CC2C=CC1C2.
What is the InChIKey of 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is AAKZKVOZQQOHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene?
5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 156.66 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 19809221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).